UCSF

ZINC36794885

Substance Information

In ZINC since Heavy atoms Benign functionality
November 14th, 2009 19 No

Download: MOL2 SDF SMILES Flexibase

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 1.87 5.53 -47.11 3 6 1 92 286.739 6
Hi High (pH 8-9.5) 1.87 4.37 -11.89 2 6 0 87 285.731 6

Activity (Go SEA)

Analogs ( Draw Identity 99% 90% 80% 70% )